5-Bromo-2-(methylthio)pyrimidine - CAS 14001-67-3
Catalog: |
BB009015 |
Product Name: |
5-Bromo-2-(methylthio)pyrimidine |
CAS: |
14001-67-3 |
Synonyms: |
5-bromo-2-(methylthio)pyrimidine; 5-bromo-2-methylsulfanylpyrimidine |
IUPAC Name: | 5-bromo-2-methylsulfanylpyrimidine |
Description: | 5-Bromo-2-(methylthio)pyrimidine (CAS# 14001-67-3) is a useful research chemical. |
Molecular Weight: | 205.08 |
Molecular Formula: | C5H5BrN2S |
Canonical SMILES: | CSC1=NC=C(C=N1)Br |
InChI: | InChI=1S/C5H5BrN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3 |
InChI Key: | WFLSPLBDSJLPFW-UHFFFAOYSA-N |
Boiling Point: | 281.2 °C at 760 mmHg |
Density: | 1.72 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00187875 |
LogP: | 1.96100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111763217-A | Thieno-nitrogen heterocyclic compound, preparation method and application | 20190330 |
JP-2020094045-A | Pharmaceutical use of pyrimidine compounds | 20181130 |
JP-6870064-B2 | Pharmaceutical use of pyrimidine compounds | 20181130 |
WO-2019215341-A1 | Furin inhibitors | 20180511 |
AU-2019267166-A1 | Furin inhibitors | 20180511 |
Complexity: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.93568 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.93568 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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